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N-(3,4-dichlorophenyl)-3-phenylprop-2-enamide

HCID 303263
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Basic information

CAS
42174-34-5
Standard SMILES
O=C(C=Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIKey
UGXSTPSWPSDZTR-UHFFFAOYSA-N
Molecular formula
C15H11Cl2NO
Average molar mass
292.2 g/mol
Monoisotopic mass
291.0217694

Names & identifiers

Preferred name
N-(3,4-dichlorophenyl)-3-phenylprop-2-enamide
IUPAC
N-(3,4-dichlorophenyl)-3-phenylprop-2-enamide

Names & synonyms

N-(3,4-dichlorophenyl)-3-phenylprop-2-enamideDTXSID9030745942174-34-5RefChem:361064DTXCID20258586CBDivE_013883SCHEMBL2955456

Database identifiers

CAS
42174-34-5
PubChem CID
303263
DTXSID
DTXSID90307459
EC Number
645-012-2

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
326

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

Related reactions

1 records
New reaction record
HRID 932630 reaction equation
HRID 932630As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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